@MOLECULE vitexin-2"-o-rhamnoside 71 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.5699 -2.1536 0.1239 O.3 1 UNL1 -0.4184 2 O 1.4678 -0.9928 1.6297 O.3 1 UNL1 -0.3932 3 O -2.1979 -0.3183 -1.0193 O.3 1 UNL1 -0.4701 4 O 0.5404 -3.1729 -1.6236 O.3 1 UNL1 -0.5573 5 O 2.7277 -4.0788 0.1398 O.3 1 UNL1 -0.5493 6 O -4.0937 -1.6469 0.8008 O.3 1 UNL1 -0.5741 7 O -6.1381 -1.5359 -0.9248 O.3 1 UNL1 -0.5445 8 O -5.2980 0.7356 -2.4938 O.3 1 UNL1 -0.5528 9 O 3.7399 -1.4690 3.2770 O.3 1 UNL1 -0.5374 10 O 1.2325 1.0272 0.1858 O.2 1 UNL1 -0.2288 11 O -2.1939 -0.5323 2.9189 O.3 1 UNL1 -0.4690 12 O -2.2428 4.0135 1.6251 O.3 1 UNL1 -0.4547 13 O -0.2554 4.8124 0.0863 O.2 1 UNL1 -0.5404 14 O 6.7609 -0.0550 -2.1750 O.3 1 UNL1 -0.4636 15 C -0.2164 -1.7344 0.0500 C.3 1 UNL1 0.0544 16 C 0.6028 -3.0079 -0.2182 C.3 1 UNL1 0.0542 17 C 0.0651 -1.1366 1.4553 C.3 1 UNL1 0.1261 18 C 2.0728 -2.8353 0.1997 C.3 1 UNL1 0.0402 19 C 2.1808 -2.2160 1.6021 C.3 1 UNL1 -0.0003 20 C -2.3751 -1.7216 -0.9477 C.3 1 UNL1 0.2655 21 C -3.8109 -2.0874 -0.5094 C.3 1 UNL1 0.0379 22 C -4.8315 -1.3732 -1.4190 C.3 1 UNL1 0.0547 23 C -4.5120 0.1333 -1.4881 C.3 1 UNL1 0.0494 24 C -3.0514 0.3436 -1.9435 C.3 1 UNL1 0.1346 25 C -0.4869 0.2450 1.5415 C.ar 1 UNL1 -0.2997 26 C 3.6239 -1.7811 1.9078 C.3 1 UNL1 -0.0144 27 C 0.0888 1.3229 0.8625 C.ar 1 UNL1 0.3809 28 C -2.6409 1.8046 -1.8513 C.3 1 UNL1 -0.4594 29 C -1.6611 0.5218 2.2626 C.ar 1 UNL1 0.4290 30 C -0.4546 2.6128 0.8650 C.ar 1 UNL1 -0.4867 31 C -2.2593 1.7822 2.3032 C.ar 1 UNL1 -0.4836 32 C -1.6519 2.8219 1.5918 C.ar 1 UNL1 0.4774 33 C 0.2052 3.6796 0.1291 C.ar 1 UNL1 0.5553 34 C 1.9037 2.0396 -0.4493 C.ar 1 UNL1 0.3033 35 C 1.4475 3.3031 -0.5311 C.ar 1 UNL1 -0.4316 36 C 3.1582 1.4787 -0.9459 C.ar 1 UNL1 -0.1562 37 C 4.3552 2.1604 -0.6924 C.ar 1 UNL1 -0.0366 38 C 3.1632 0.2457 -1.6072 C.ar 1 UNL1 -0.0205 39 C 5.5620 1.6227 -1.1118 C.ar 1 UNL1 -0.2602 40 C 4.3626 -0.3114 -2.0362 C.ar 1 UNL1 -0.3286 41 C 5.5450 0.3943 -1.7867 C.ar 1 UNL1 0.3260 42 H -0.0422 -0.9849 -0.7539 H 1 UNL1 0.1741 43 H 0.1320 -3.8990 0.2518 H 1 UNL1 0.1425 44 H -0.3371 -1.8027 2.2554 H 1 UNL1 0.1550 45 H 2.6311 -2.2347 -0.5585 H 1 UNL1 0.1670 46 H 1.7927 -2.8944 2.3922 H 1 UNL1 0.1420 47 H -2.0389 -2.1938 -1.8932 H 1 UNL1 0.1347 48 H -3.9661 -3.1889 -0.4937 H 1 UNL1 0.1547 49 H -4.8852 -1.8291 -2.4331 H 1 UNL1 0.1564 50 H -4.7200 0.6350 -0.5188 H 1 UNL1 0.1482 51 H -2.8848 -0.0702 -2.9620 H 1 UNL1 0.1293 52 H 3.9201 -0.9019 1.3051 H 1 UNL1 0.1348 53 H 4.3431 -2.6068 1.7540 H 1 UNL1 0.1547 54 H 1.1872 -3.8538 -1.9086 H 1 UNL1 0.3278 55 H 2.4155 -4.6907 0.8375 H 1 UNL1 0.3190 56 H -3.3098 2.4286 -2.4619 H 1 UNL1 0.1733 57 H -1.6145 1.9575 -2.1994 H 1 UNL1 0.1556 58 H -2.6948 2.1740 -0.8179 H 1 UNL1 0.1630 59 H -3.2647 -1.3652 1.2586 H 1 UNL1 0.3581 60 H -6.1406 -1.4410 0.0575 H 1 UNL1 0.3391 61 H -6.2405 0.4877 -2.3620 H 1 UNL1 0.3338 62 H -3.1739 1.9696 2.8537 H 1 UNL1 0.1975 63 H 3.0897 -0.7674 3.5051 H 1 UNL1 0.3264 64 H -2.9968 -0.2877 3.4539 H 1 UNL1 0.3459 65 H 1.9742 4.0846 -1.0747 H 1 UNL1 0.2037 66 H -1.7075 4.6990 1.0712 H 1 UNL1 0.3905 67 H 4.3354 3.1140 -0.1599 H 1 UNL1 0.1648 68 H 2.2196 -0.2748 -1.7954 H 1 UNL1 0.1677 69 H 6.5094 2.1265 -0.9321 H 1 UNL1 0.1816 70 H 4.3768 -1.2645 -2.5546 H 1 UNL1 0.1686 71 H 6.7163 -0.9292 -2.6334 H 1 UNL1 0.3326 @BOND 1 51 24 1 2 71 14 1 3 70 40 1 4 8 61 1 5 8 23 1 6 56 28 1 7 49 22 1 8 57 28 1 9 14 41 1 10 40 41 ar 11 40 38 ar 12 24 28 1 13 24 23 1 14 24 3 1 15 54 4 1 16 47 20 1 17 28 58 1 18 68 38 1 19 41 39 ar 20 4 16 1 21 38 36 ar 22 23 22 1 23 23 50 1 24 22 7 1 25 22 21 1 26 39 69 1 27 39 37 ar 28 65 35 1 29 3 20 1 30 20 21 1 31 20 1 1 32 36 37 ar 33 36 34 1 34 7 60 1 35 42 15 1 36 37 67 1 37 45 18 1 38 35 34 ar 39 35 33 ar 40 21 48 1 41 21 6 1 42 34 10 ar 43 16 15 1 44 16 18 1 45 16 43 1 46 15 1 1 47 15 17 1 48 13 33 2 49 33 30 ar 50 5 18 1 51 5 55 1 52 10 27 ar 53 18 19 1 54 6 59 1 55 27 30 ar 56 27 25 ar 57 30 32 ar 58 66 12 1 59 52 26 1 60 17 25 1 61 17 2 1 62 17 44 1 63 25 29 ar 64 32 12 1 65 32 31 ar 66 19 2 1 67 19 26 1 68 19 46 1 69 53 26 1 70 26 9 1 71 29 31 ar 72 29 11 1 73 31 62 1 74 11 64 1 75 9 63 1